General Information of the Compound
| Compound ID |
CP0439639
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| Compound Name |
4-amino-5-chloro-2-methoxy-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C20H31ClN4O2
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| Molecular Weight |
394.947
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2CCCCC2)CC1
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| InChI |
InChI=1S/C20H31ClN4O2/c1-27-19-14-18(22)17(21)13-16(19)20(26)23-15-5-9-25(10-6-15)12-11-24-7-3-2-4-8-24/h13-15H,2-12,22H2,1H3,(H,23,26)
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| InChIKey |
VNCDPAWJCNFFCR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound